SCHEMBL5428275

SCHEMBL5428275

CCCc1ccc(N2CCCS2)c(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GFER P55789 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ YWHAG P61981 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ DRD2 P14416 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KAT8 Q9H7Z6 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AVPR2 P30518 1/20 0.34
▸ OXTR P30559 1/20 0.34
▸ AVPR1A P37288 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3902947 0.73 RAB9A (0.50) MEN1KMT2AMAPTHTTRAB9A
Formic Acid SCHEMBL5396644 0.71 USP2 (0.40) HSD17B10MEN1KMT2AKDM4EMAPT
SCHEMBL10211144 0.68 CNR1 (0.42) HSD17B10MAPTHTTRAB9AKAT8
SCHEMBL28277678 0.68 CNR1 (0.42) HSD17B10MEN1KMT2AKDM4EMAPT
SCHEMBL8876740 0.66 PLK1 (0.43) HSD17B10MEN1KMT2AKDM4EMAPT
SCHEMBL28011859 0.66 BACE1 (0.46) HSD17B10MEN1KMT2AKDM4EMAPT
SCHEMBL23937803 0.65 KDM4E (0.57) HSD17B10MEN1KMT2AKDM4EMAPT
SCHEMBL21279847 0.65 OPRK1 (0.46) HSD17B10KDM4EMAPTALOX15RAB9A
SCHEMBL29893781 0.65 DGAT1 (0.51) MAPTHTTRAB9AGAALMNA
SCHEMBL28277680 0.65 CNR1 (0.42) HSD17B10MEN1KMT2AMAPTTHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 — — US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 HSD17B10 1753/4885MEN1 586/4885KMT2A 300/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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